⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31162289 | 0.86 | — | — | |
| SCHEMBL14569692 | 0.86 | — | — | |
| SCHEMBL15842 | 0.86 | — | — | |
| SCHEMBL2368206 | 0.86 | KDM4E (0.33) | — | |
| SCHEMBL3322733 | 0.86 | — | — | |
| SCHEMBL4193479 | 0.83 | — | — | |
| SCHEMBL18597177 | 0.82 | TFPI2 (0.38) | — | |
| Water SCHEMBL11665768 | 0.82 | — | — | |
| SCHEMBL8687641 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL17625602 | 0.82 | ALDH1A1 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7544826-B2 | Monocyclopentadienyl complexes | BASELL POLYOLEFINE GMBH (DE) | 2009-06-09 | — | — | US | disclosed |
| EP-1694689-B1 | MONOCYCLOPENTADIENYL COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2009-03-11 | — | — | EP | disclosed |
| US-20070213484-A1 | Monocyclopentadienyl Complexes | BASELL POLYOLEFINE GMBH (DE) | 2007-09-13 | — | — | US | disclosed |
| CN-1894267-A | Monocyclopentadienyl complexes | BASELL POLYOLEFINE GMBH (DE) | 2007-01-10 | — | — | CN | disclosed |
| EP-1694689-A1 | MONOCYCLOPENTADIENYL COMPLEXES | Basell Polyolefine GmbH (DE) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005058928-A1 | MONOCYCLOPENTADIENYL COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2005-06-30 | — | — | WO | disclosed |